Bromotrimethyl-p-benzoquinone
TL;DR: Bromotrimethyl-p-benzoquinone (CAS 92965-97-4) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Also Known As: bromotrimethyl-p-benzoquinone, p-Benzoquinone, bromotrimethyl-, Bromotrimethyl-1,4-benzoquinone, 2-bromo-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione, 2,3,5-Trimethyl-6-bromo-1,4-benzoquinone
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 92965-97-4 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)C)Br)C |
| InChIKey | DMXCEMCFRJWMJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromotrimethyl-p-benzoquinone (CAS 92965-97-4), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 2-bromo-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Bromotrimethyl-p-benzoquinone
Property Insights of Bromotrimethyl-p-benzoquinone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromotrimethyl-p-benzoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, Bromotrimethyl-p-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromotrimethyl-p-benzoquinone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromotrimethyl-p-benzoquinone?
The CAS number of Bromotrimethyl-p-benzoquinone is 92965-97-4.
What is the molecular formula of Bromotrimethyl-p-benzoquinone?
The molecular formula of Bromotrimethyl-p-benzoquinone is C9H9BrO2.
What is the molecular weight of Bromotrimethyl-p-benzoquinone?
The molecular weight of Bromotrimethyl-p-benzoquinone is 227.98 g/mol.
Where can I buy Bromotrimethyl-p-benzoquinone?
You can request a quote for Bromotrimethyl-p-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromotrimethyl-p-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for Bromotrimethyl-p-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.